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85590-00-7

85590-00-7 | 2-Propenoic acid, 2-methyl-, 10-(phosphonooxy)decyl ester

CAS No: 85590-00-7 Catalog No: AG0038EI MDL No:MFCD19441164

Product Description

Catalog Number:
AG0038EI
Chemical Name:
2-Propenoic acid, 2-methyl-, 10-(phosphonooxy)decyl ester
CAS Number:
85590-00-7
Molecular Formula:
C14H27O6P
Molecular Weight:
322.3343
MDL Number:
MFCD19441164
IUPAC Name:
10-phosphonooxydecyl 2-methylprop-2-enoate
InChI:
InChI=1S/C14H27O6P/c1-13(2)14(15)19-11-9-7-5-3-4-6-8-10-12-20-21(16,17)18/h1,3-12H2,2H3,(H2,16,17,18)
InChI Key:
CFKBCVIYTWDYRP-UHFFFAOYSA-N
SMILES:
O=C(C(=C)C)OCCCCCCCCCCOP(=O)(O)O

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.155g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
322.338g/mol
Monoisotopic Mass:
322.155g/mol
Rotatable Bond Count:
14  
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  

Literature

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